晶格动力学理论

利用晶格动力学理论计算了二维三角晶格的Peierls相变前后的声子能谱。

We have calculated the phonon spectrum of trigonal lattice of two-dimensional pre - and after Peierls phase transition applying lattice dynamics in this article .

利用分析型嵌入原子模型与表面晶格动力学理论，第三章研究了FCC与HCP金属表面在简谐近似下的振动，及表面热力学性质。

In the third chapter , the surface vibration and thermodynamic properties of some typical surfaces for FCC and HCP metals are studied by means of the surface lattice dynamics and the analytic EAM .

测量了性能优良的非线性光学材料KTP单晶的Raman谱，并从群论、晶格动力学理论和配位场理论对其特点进行了详细的讨论。

The Raman spectra of KTP single crystal that is an excellent material applicable to the nonlinear optical devices have been obtained . And its features are discussed in some detail in terms of group the-ory , lattice dynamics and ligand field theory .

最近，人们基于晶格动力学理论，考虑原子之间的相互作用，利用格林函数方法严格推导了二维三角晶体和各向同性简立方晶体中的位错方程。

Recently dislocation equation based on the crystal lattice dynamics has been derived considering interacts of atoms by means of Green Function in two-dimensional triangular crystal and isotropic simple-cubic crystal .

根据空间群理论指认了测定的特征谱线，依据晶格动力学理论导出了晶体热导率与积分拉曼散射强度的关系。

On the basies of the group theory and lattice dynamics theory , all the Raman peaks are assigned , and a correlation between the thermal conductivity and the Raman scattering strength is given in this paper .

主要的困难在于经典力学、经典的晶格动力学等理论和分子动力学等纯数值方法已经不太适应这些对称性发生了破缺的新型结构体系。

The main difficulties lie in that the classical mechanics , lattice dynamics , molecule dynamics and other traditionally theoretical and numerical methods have not been well suitable to study such systems with a broken symmetry .

目前这些材料的晶格动力学性质是理论和实验研究的热门课题。

At present , the field is very active and of interest in theoretical and experimental studies .